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Ligand · 216

216 · [4-R-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2H-1,3-diazepinone

216, [4-R-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2H-1,3-diazepinone (C25 H30 N2 O3, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
216
Formula
C25 H30 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

216 in 2 structures; the first of them:

  • 1HWR · Molecular recognition of cyclic urea HIV protease inhibitors · 216 B216 · binds LEU23, ASP25, GLY27, ALA28, ILE47, GLY48, GLY49, ILE50 and 14 more
  • 1HWR · Molecular recognition of cyclic urea HIV protease inhibitors · 216 B216 · binds LEU23, ASP25, GLY27, ALA28, ILE47, GLY48, GLY49, ILE50 and 14 more

Residues it binds most

GLY 2, ILE 2, ALA 2, ASP 2, LEU 2, PRO 2, VAL 2, ARG 2 (residue and the binding sites it lines).

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